N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide

C14H19ClN2O — CID 115267473

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
SMILESNCC1(CNC(=O)Cc2ccc(Cl)cc2)CCC1
InChIInChI=1S/C14H19ClN2O/c15-12-4-2-11(3-5-12)8-13(18)17-10-14(9-16)6-1-7-14/h2-5H,1,6-10,16H2,(H,17,18)
InChIKeyDGDSLZUQNLCPGF-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.13
Rot. Bonds5

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide (PubChem CID 115267473) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
PubChem CID115267473
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
SMILESNCC1(CNC(=O)Cc2ccc(Cl)cc2)CCC1
InChIInChI=1S/C14H19ClN2O/c15-12-4-2-11(3-5-12)8-13(18)17-10-14(9-16)6-1-7-14/h2-5H,1,6-10,16H2,(H,17,18)
InChIKeyDGDSLZUQNLCPGF-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
CID 103969492
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide
CID 115365544
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115455902
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113313642
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 115271343
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 16625893
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 20995022
1-[[[2-(4-chlorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311997
2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484725
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide
CID 115272021
2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride
CID 119782137
N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide
CID 18614335

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide (CID 115267473) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide is NCC1(CNC(=O)Cc2ccc(Cl)cc2)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is DGDSLZUQNLCPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-12-4-2-11(3-5-12)8-13(18)17-10-14(9-16)6-1-7-14/h2-5H,1,6-10,16H2,(H,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 266.77 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 115267473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).